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Analogs

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Popular Name: (1S)-1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 8.24 -52.55 2 4 1 47 237.714 3 ↓
Hi High (pH 8-9.5) 1.67 7.07 -8.14 1 4 0 43 236.706 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 8.24 -52.62 2 4 1 47 237.714 3 ↓
Hi High (pH 8-9.5) 1.67 7.07 -8.96 1 4 0 43 236.706 3 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-chloro-4-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 9.08 -51.15 2 4 1 47 251.741 4 ↓
Hi High (pH 8-9.5) 2.04 8 -8.78 1 4 0 43 250.733 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]-N-ethyl-ethanamine (1R)-1-[3-chloro-4-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 9.08 -51.2 2 4 1 47 251.741 4 ↓
Hi High (pH 8-9.5) 2.04 7.98 -7.95 1 4 0 43 250.733 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(1,2,4-tri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 9.85 -52.1 2 4 1 47 265.768 5 ↓
Hi High (pH 8-9.5) 2.55 8.75 -8.73 1 4 0 43 264.76 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-(1,2,4-tri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 9.85 -52.19 2 4 1 47 265.768 5 ↓
Hi High (pH 8-9.5) 2.55 8.73 -7.89 1 4 0 43 264.76 5 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.58 6.48 -58.38 3 4 1 58 223.687 2 ↓
Mid Mid (pH 6-8) -0.58 6.15 -9.48 2 4 0 57 222.679 2 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]ethanamine (1R)-1-[3-chloro-4-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.58 6.47 -58.5 3 4 1 58 223.687 2 ↓
Mid Mid (pH 6-8) -0.58 6.17 -8.18 2 4 0 57 222.679 2 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(1,2,4-triazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 8.48 -52.27 2 4 1 47 282.165 3 ↓
Hi High (pH 8-9.5) 1.80 7.31 -7.18 1 4 0 43 281.157 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(1,2,4-triazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 8.49 -51.49 2 4 1 47 282.165 3 ↓
Hi High (pH 8-9.5) 1.80 7.31 -8.04 1 4 0 43 281.157 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(1,2,4-triazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 9.34 -50.81 2 4 1 47 296.192 4 ↓
Hi High (pH 8-9.5) 2.18 8.24 -7.55 1 4 0 43 295.184 4 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-(1,2,4-triazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 9.32 -50.17 2 4 1 47 296.192 4 ↓
Hi High (pH 8-9.5) 2.18 8.22 -6.91 1 4 0 43 295.184 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(1,2,4-tria…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 10.1 -51.87 2 4 1 47 310.219 5 ↓
Hi High (pH 8-9.5) 2.68 8.99 -7.49 1 4 0 43 309.211 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-(1,2,4-tria…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 10.08 -51.11 2 4 1 47 310.219 5 ↓
Hi High (pH 8-9.5) 2.68 8.98 -6.86 1 4 0 43 309.211 5 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(1,2,4-triazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.45 6.72 -58.16 3 4 1 58 268.138 2 ↓
Mid Mid (pH 6-8) -0.45 6.39 -8.23 2 4 0 57 267.13 2 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]ethanamine (1R)-1-[3-bromo-4-(1,2,4-triazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.45 6.71 -57.34 3 4 1 58 268.138 2 ↓
Mid Mid (pH 6-8) -0.45 6.41 -7.15 2 4 0 57 267.13 2 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(3,5-dimethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 7.99 -51.62 2 4 1 47 265.768 3 ↓
Hi High (pH 8-9.5) 1.84 6.81 -9.73 1 4 0 43 264.76 3 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(3,5-dimethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 7.99 -50.85 2 4 1 47 265.768 3 ↓
Hi High (pH 8-9.5) 1.84 6.82 -9.41 1 4 0 43 264.76 3 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-chloro-4-(3,5-dimethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 8.83 -52.33 2 4 1 47 279.795 4 ↓
Hi High (pH 8-9.5) 2.22 7.74 -9.47 1 4 0 43 278.787 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-N-ethyl-ethanamine (1R)-1-[3-chloro-4-(3,5-dimethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 8.83 -53.22 2 4 1 47 279.795 4 ↓
Hi High (pH 8-9.5) 2.22 7.73 -8.5 1 4 0 43 278.787 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(3,5-dimet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 9.6 -53.32 2 4 1 47 293.822 5 ↓
Hi High (pH 8-9.5) 2.72 8.5 -9.47 1 4 0 43 292.814 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-(3,5-dimet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 9.59 -54.27 2 4 1 47 293.822 5 ↓
Hi High (pH 8-9.5) 2.72 8.48 -8.43 1 4 0 43 292.814 5 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethanamine (1R)-1-[3-chloro-4-(3,5-dimethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.41 6.21 -57.34 3 4 1 58 251.741 2 ↓
Mid Mid (pH 6-8) -0.41 5.91 -10.16 2 4 0 57 250.733 2 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(3,5-dimethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.41 6.21 -56.46 3 4 1 58 251.741 2 ↓
Mid Mid (pH 6-8) -0.41 5.88 -10.2 2 4 0 57 250.733 2 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(3,5-dimethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 8.12 -51.2 2 4 1 47 310.219 3 ↓
Hi High (pH 8-9.5) 1.98 6.95 -9.38 1 4 0 43 309.211 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(3,5-dimethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 8.12 -50.41 2 4 1 47 310.219 3 ↓
Hi High (pH 8-9.5) 1.98 6.95 -9.08 1 4 0 43 309.211 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(3,5-dimethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 8.98 -51.98 2 4 1 47 324.246 4 ↓
Hi High (pH 8-9.5) 2.35 7.88 -9.16 1 4 0 43 323.238 4 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-(3,5-dimethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 8.96 -52.86 2 4 1 47 324.246 4 ↓
Hi High (pH 8-9.5) 2.35 7.86 -8.16 1 4 0 43 323.238 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(3,5-dimeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 9.74 -52.99 2 4 1 47 338.273 5 ↓
Hi High (pH 8-9.5) 2.85 8.64 -9.12 1 4 0 43 337.265 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-(3,5-dimeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 9.72 -53.96 2 4 1 47 338.273 5 ↓
Hi High (pH 8-9.5) 2.85 8.62 -8.12 1 4 0 43 337.265 5 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethanamine (1R)-1-[3-bromo-4-(3,5-dimethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.28 6.35 -56.91 3 4 1 58 296.192 2 ↓
Mid Mid (pH 6-8) -0.28 6.05 -9.84 2 4 0 57 295.184 2 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(3,5-dimethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.28 6.35 -55.97 3 4 1 58 296.192 2 ↓
Mid Mid (pH 6-8) -0.28 6.01 -9.86 2 4 0 57 295.184 2 ↓

Analogs

6000744
6000744
6353078
6353078
5755894
5755894

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Popular Name: [5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoylmethyl [5-chloro-2-(1,2,4-triazol-1-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 2.66 -13.81 1 7 0 86 322.752 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 1.83 -18.88 1 7 0 86 354.819 8 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 4.15 -20.1 1 7 0 86 388.371 9 ↓

Analogs

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Popular Name: (2S)-2-methylsulfanyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (2S)-2-methylsulfanyl-N-[(1S)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 8.69 -18.13 1 5 0 60 290.392 5 ↓

Analogs

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Popular Name: (2R)-2-methylsulfanyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (2R)-2-methylsulfanyl-N-[(1S)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 8.69 -18.35 1 5 0 60 290.392 5 ↓

Analogs

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Popular Name: (2S)-2-methylsulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (2S)-2-methylsulfanyl-N-[(1R)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 8.7 -18.42 1 5 0 60 290.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methylsulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (2R)-2-methylsulfanyl-N-[(1R)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 8.69 -18.11 1 5 0 60 290.392 5 ↓

Analogs

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Popular Name: 1-[2-fluoro-6-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-ol 1-[2-fluoro-6-(1H-1,2,4-triazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.58 5.55 -11.54 1 4 0 51 207.208 2 ↓

Analogs

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Popular Name: 1-[2-fluoro-6-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-ol 1-[2-fluoro-6-(1H-1,2,4-triazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.58 5.59 -11.45 1 4 0 51 207.208 2 ↓

Analogs

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Popular Name: (1S)-1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]ethanol (1S)-1-[3-fluoro-4-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.60 5.13 -7.79 1 4 0 51 207.208 2 ↓

Analogs

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Popular Name: (1R)-1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]ethanol (1R)-1-[3-fluoro-4-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.60 5.09 -7.84 1 4 0 51 207.208 2 ↓

Analogs

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Popular Name: (1S)-1-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]ethanol (1S)-1-[3-nitro-4-(1,2,4-triazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.40 6.34 -15.48 1 7 0 97 234.215 3 ↓

Analogs

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Popular Name: (1R)-1-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]ethanol (1R)-1-[3-nitro-4-(1,2,4-triazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.40 6.31 -15.71 1 7 0 97 234.215 3 ↓

Analogs

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Popular Name: (1S)-1-[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]ethanol (1S)-1-[5-fluoro-2-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.60 5.65 -8.29 1 4 0 51 207.208 2 ↓

Analogs

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Popular Name: (1R)-1-[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]ethanol (1R)-1-[5-fluoro-2-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.60 5.65 -8.3 1 4 0 51 207.208 2 ↓

Analogs

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Popular Name: 2-Fluoro-4-(1H-1,2,4-triazol-1-yl)benzaldehyde 2-Fluoro-4-(1H-1,2,4-triazol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.83 6.81 -12.46 0 4 0 48 191.165 2 ↓

Analogs

43708505
43708505
43708506
43708506

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Popular Name: (2S)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-propanamide (2S)-N-[5-chloro-2-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 7.84 -14.28 1 6 0 69 280.715 4 ↓

Analogs

43708505
43708505
43708506
43708506

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-propanamide (2R)-N-[5-chloro-2-(1,2,4-triazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 7.86 -14.21 1 6 0 69 280.715 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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